SCHEMBL9264444

SCHEMBL9264444

COc1ccnc(C[S+]([O-])n2cnc3cc(C(C)=O)c(C)cc32)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 3/20 0.37
▸ SRC P12931 2/20 0.37
▸ PRNP P04156 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ HPGD P15428 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CTSD P07339 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ PLK1 P53350 1/20 0.32
▸ PRKAB2 O43741 1/20 0.32
▸ ABL1 P00519 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9542909 0.79 CYP2C9 (0.36) TGFBR1SRCSMN1; SMN2CYP2C9MAPT
SCHEMBL9386237 0.78 CYP2C9 (0.36) TGFBR1SRCSMN1; SMN2CYP2C9MAPT
SCHEMBL5984224 0.77 RAB9A (0.41) SMN1; SMN2TP53MAPTHTTNPC1
SCHEMBL8163707 0.76 CYP2C9 (0.43) TGFBR1SRCCYP2C9MAPTLMNA
SCHEMBL9541742 0.75 CYP2C9 (0.36) TGFBR1SRCSMN1; SMN2CYP2C9MAPT
SCHEMBL9529094 0.75 CYP2C9 (0.34) TGFBR1SRCCYP2C9MAPTLMNA
SCHEMBL9543157 0.75 CYP2C9 (0.36) TGFBR1SRCSMN1; SMN2CYP2C9MAPT
SCHEMBL9232103 0.72 CYP2C9 (0.40) CYP2C9MAPTHTTNR3C1HPGD
SCHEMBL9232111 0.72 CYP2C9 (0.40) SRCCYP2C9MAPTLMNANPC1
SCHEMBL9530345 0.72 CYP2C9 (0.34) TGFBR1SRCCYP2C9MAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5430042-A Dialkoxy-pyridinyl-benzimidazole derivatives, process for their preparation and their pharmaceutical use AKTIEBOLAGET ASTRA (SE) 1995-07-04 — — US disclosed
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